ChemSpider 2D Image | 2-Methyl-2-propanyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate | C12H20N4O2

2-Methyl-2-propanyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

  • Molecular FormulaC12H20N4O2
  • Average mass252.313 Da
  • Monoisotopic mass252.158630 Da
  • ChemSpider ID23347177

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-propanyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
3-Amino-6,6-diméthyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-amino-4,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
398491-61-7 [RN]
3-Amino-2,6-dihydro-6,6-dimethyl-pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      White Crystal Novochemy [NC-06821]
    • Safety:

      20/21/36/37/39 Novochemy [NC-06821]
      36/37/38 Novochemy [NC-06821]
      GHS07; GHS09 Novochemy [NC-06821]
      H332; H403 Novochemy [NC-06821]
      Harmful SynQuest 4H56-1-8X
      P332+P313; P305+P351+P338 Novochemy [NC-06821]
      Warning Novochemy [NC-06821]
      Xn Novochemy [NC-06821]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 420.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.1±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.46
ACD/KOC (pH 5.5): 158.42
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.85
ACD/KOC (pH 7.4): 165.73
Polar Surface Area: 84 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

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